Geometry & MOs

Info

ID:	51805
PubChem CID:	12014553
Reduced:	SiCl2O3C18H30 (1)
Stoich.:	AB2C3D18E30 (1)
Weight, g/mol:	594.149912
ΔH_f, kcal/mol:	-197.23
Dipole, Da:	2.68
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,10'bR)-10'b-methyl-3-(4-nitroanilino)-3'-(4-nitrophenyl)spiro[1,3-benzoxazine-4,2'-1H-pyrazolo[1,5-c][1,3]benzoxazine]-2,5'-dione

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)OCC1=CC(=C(C(=C1)Cl)OCOC)Cl

DOS

IR

Vibrations